Theoretical Analysis of Si2H6 Adsorption on Hydrogenated Silicon Surfaces for Fast Deposition Using Intermediate Pressure SiH4 Capacitively Coupled Plasma
| Autor: | Ho Jun Kim, Hwanyeol Park |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Silicon PECVD Analytical chemistry chemistry.chemical_element Surfaces and Interfaces Si2H6 adsorption DFT calculations Engineering (General). Civil engineering (General) pressure effects of the mixture gas Dissociation (chemistry) hydrogenated silicon (Si:H) plasma simulations Surfaces Coatings and Films Adsorption chemistry Plasma-enhanced chemical vapor deposition Materials Chemistry Deposition (phase transition) Density functional theory Reactivity (chemistry) Capacitively coupled plasma TA1-2040 |
| Zdroj: | Coatings, Vol 11, Iss 1041, p 1041 (2021) Coatings Volume 11 Issue 9 |
| ISSN: | 2079-6412 |
| Popis: | The rapid and uniform growth of hydrogenated silicon (Si:H) films is essential for the manufacturing of future semiconductor devices therefore, Si:H films are mainly deposited using SiH4-based plasmas. An increase in the pressure of the mixture gas has been demonstrated to increase the deposition rate in the SiH4-based plasmas. The fact that SiH4 more efficiently generates Si2H6 at higher gas pressures requires a theoretical investigation of the reactivity of Si2H6 on various surfaces. Therefore, we conducted first-principles density functional theory (DFT) calculations to understand the surface reactivity of Si2H6 on both hydrogenated (H-covered) Si(001) and Si(111) surfaces. The reactivity of Si2H6 molecules on hydrogenated Si surfaces was more energetically favorable than on clean Si surfaces. We also found that the hydrogenated Si(111) surface is the most efficient surface because the dissociation of Si2H6 on the hydrogenated Si(111) surface are thermodynamically and kinetically more favorable than those on the hydrogenated Si(001) surface. Finally, we simulated the SiH4/He capacitively coupled plasma (CCP) discharges for Si:H films deposition. |
| Databáze: | OpenAIRE |
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